4-[6-chloranyl-2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-[4-(o-tolyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-[4-(2-methylphenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-[4-(o-tolyl)piperazino]ethyl]thio]pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide Formula: C26H36ClN7O2S MolecularWeight: 546.12774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4C)Cl

InChI

InChI=1S/C26H36ClN7O2S/c1-18(2)28-26(36)34-14-13-33(16-20(34)4)23-15-22(27)29-25(30-23)37-17-24(35)32-11-9-31(10-12-32)21-8-6-5-7-19(21)3/h5-8,15,18,20H,9-14,16-17H2,1-4H3,(H,28,36)